chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride

C100H169Cl3N4O4P8Ru4+5 — CID 163562643

IUPACchloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride
SMILESCC(C)(C)[PH+](Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)[PH+](Cc1cccc(C[PH+](C(C)C)C(C)C)n1)C(C)C.CC(C)[PH+](Cc1cccc2c1[N-]c1c(cccc1C[PH+](C(C)C)C(C)C)C2)C(C)C.CC(C)[PH+](Cc1cccc2cc3cccc(C[PH+](C(C)C)C(C)C)c3nc12)C(C)C.Cl[Ru].Cl[Ru].Cl[Ru].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+2]
InChIInChI=1S/C27H40NP2.C27H39NP2.C23H43NP2.C19H35NP2.4CHO.3ClH.4Ru/c2*1-18(2)29(19(3)4)16-24-13-9-11-22-15-23-12-10-14-25(27(23)28-26(22)24)17-30(20(5)6)21(7)8;1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;1-14(2)21(15(3)4)12-18-10-9-11-19(20-18)13-22(16(5)6)17(7)8;4*1-2;;;;;;;/h9-14,18-21H,15-17H2,1-8H3;9-15,18-21H,16-17H2,1-8H3;13-15H,16-17H2,1-12H3;9-11,14-17H,12-13H2,1-8H3;4*1H;3*1H;;;;/q-1;;;;4*-1;;;;3*+1;+2/p+5
InChIKeyUGWQBCMHWTZFKI-UHFFFAOYSA-S
MW2249.91 g/mol
LogP32.25
Rot. Bonds28

About chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride

chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride (PubChem CID 163562643) has the molecular formula C100H169Cl3N4O4P8Ru4+5 and a molecular weight of 2249.91 g/mol. Its IUPAC name is chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride.

Molecular Properties

Compound Namechloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride
PubChem CID163562643
Molecular FormulaC100H169Cl3N4O4P8Ru4+5
Molecular Weight2249.91 g/mol
Exact Mass2250.63
IUPAC Namechloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride
SMILESCC(C)(C)[PH+](Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)[PH+](Cc1cccc(C[PH+](C(C)C)C(C)C)n1)C(C)C.CC(C)[PH+](Cc1cccc2c1[N-]c1c(cccc1C[PH+](C(C)C)C(C)C)C2)C(C)C.CC(C)[PH+](Cc1cccc2cc3cccc(C[PH+](C(C)C)C(C)C)c3nc12)C(C)C.Cl[Ru].Cl[Ru].Cl[Ru].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+2]
InChIInChI=1S/C27H40NP2.C27H39NP2.C23H43NP2.C19H35NP2.4CHO.3ClH.4Ru/c2*1-18(2)29(19(3)4)16-24-13-9-11-22-15-23-12-10-14-25(27(23)28-26(22)24)17-30(20(5)6)21(7)8;1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;1-14(2)21(15(3)4)12-18-10-9-11-19(20-18)13-22(16(5)6)17(7)8;4*1-2;;;;;;;/h9-14,18-21H,15-17H2,1-8H3;9-15,18-21H,16-17H2,1-8H3;13-15H,16-17H2,1-12H3;9-11,14-17H,12-13H2,1-8H3;4*1H;3*1H;;;;/q-1;;;;4*-1;;;;3*+1;+2/p+5
InChIKeyUGWQBCMHWTZFKI-UHFFFAOYSA-S
XLogP32.25
TPSA121.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002249.91
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride with MolForge

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Launch Full Analysis

Related Compounds

[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
CID 153284875
chloro(hydrido)ruthenium(2+);ditert-butyl-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]phosphanium;methane;methanone
CID 162272580
carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone
CID 159421006
carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium
CID 91865253
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
4,5-bis(bromomethyl)acridine;(5-ethylacridin-4-yl)methyl-di(propan-2-yl)phosphane
CID 163675366
carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))
CID 159865588
4-propylacridine
CID 609894
bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate
CID 139043254
1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
CID 170866831

Frequently Asked Questions

What is the IUPAC name of chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride?
The IUPAC name of chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride (CID 163562643) is chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride.
What is the SMILES notation for chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride?
The canonical SMILES for chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride is CC(C)(C)[PH+](Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)[PH+](Cc1cccc(C[PH+](C(C)C)C(C)C)n1)C(C)C.CC(C)[PH+](Cc1cccc2c1[N-]c1c(cccc1C[PH+](C(C)C)C(C)C)C2)C(C)C.CC(C)[PH+](Cc1cccc2cc3cccc(C[PH+](C(C)C)C(C)C)c3nc12)C(C)C.Cl[Ru].Cl[Ru].Cl[Ru].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+2].
What is the InChIKey of chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride?
The InChIKey is UGWQBCMHWTZFKI-UHFFFAOYSA-S. The full InChI is InChI=1S/C27H40NP2.C27H39NP2.C23H43NP2.C19H35NP2.4CHO.3ClH.4Ru/c2*1-18(2)29(19(3)4)16-24-13-9-11-22-15-23-12-10-14-25(27(23)28-26(22)24)17-30(20(5)6)21(7)8;1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;1-14(2)21(15(3)4)12-18-10-9-11-19(20-18)13-22(16(5)6)17(7)8;4*1-2;;;;;;;/h9-14,18-21H,15-17H2,1-8H3;9-15,18-21H,16-17H2,1-8H3;13-15H,16-17H2,1-12H3;9-11,14-17H,12-13H2,1-8H3;4*1H;3*1H;;;;/q-1;;;;4*-1;;;;3*+1;+2/p+5.
What are the key properties of chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride?
chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride has a molecular weight of 2249.91 g/mol, XLogP of 32.25, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(hydrido)ruthenium;ditert-butyl-[[6-(ditert-butylphosphaniumylmethyl)-2-pyridinyl]methyl]phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]-9H-acridin-10-id-4-yl]methyl-di(propan-2-yl)phosphanium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;methanone;ruthenium(2+) monohydride is sourced from PubChem (CID 163562643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).